Geometry & MOs

Info

ID:	176780
PubChem CID:	76098598
Reduced:	OC14H22 (2)
Stoich.:	AB14C22 (2)
Weight, g/mol:	646.349226
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	2.18
IP(EA), eV:	-8.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[[2-[4-(1,3-benzodioxol-5-yl)-3-carboxy-2-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]acetyl]-butylamino]phenyl]methyl-trimethylazanium

Drug info:

PubChemData

Smile

CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)(O)O)C

DOS

IR

Vibrations